S. Noskov

发表

Ion permeation through the alpha-hemolysin channel: theoretical studies based on Brownian dynamics and Poisson-Nernst-Plank electrodiffusion theory.

W. Im, B. Roux, S. Noskov, 2004, Biophysical journal.

Emerging Diversity in Lipid–Protein Interactions

Besian I. Sejdiu, D. Tieleman, S. Marrink, 2019, Chemical reviews.

QM/MM Calculations with deMon2k

D. Salahub, S. Noskov, P. Calaminici, 2015, Molecules.

Comparative Analysis of Protein Hydration from MD simulations with Additive and Polarizable Force Fields

S. Noskov, Van A. Ngo, John Keenan Fanning, 2018, Advanced Theory and Simulations.

Control of ion selectivity in potassium channels by electrostatic and dynamic properties of carbonyl ligands

B. Roux, S. Bernèche, S. Noskov, 2004, Nature.

Representation of Ion–Protein Interactions Using the Drude Polarizable Force-Field

B. Roux, D. Salahub, Hui Li, 2015, The journal of physical chemistry. B.

Current state of theoretical and experimental studies of the voltage-dependent anion channel (VDAC).

S. Bezrukov, S. Noskov, T. Rostovtseva, 2016, Biochimica et biophysica acta.

Selectivity filter modalities and rapid inactivation of the hERG1 channel

Williams E. Miranda, H. Duff, I. Vorobyov, 2020, Proceedings of the National Academy of Sciences.

Importance of Hydration and Dynamics on the Selectivity of the KcsA and NaK Channels

Benoit Roux, B. Roux, S. Noskov, 2007, The Journal of general physiology.

A multiscale computational modelling approach predicts mechanisms of female sex risk in the setting of arousal‐induced arrhythmias

Kevin R. DeMarco, Junko Kurokawa, Pei-Chi Yang, 2017, The Journal of physiology.

Lipid roles in hERG function and interactions with drugs

S. Noskov, Laura L. Perissinotti, Meruyert Kudaibergenova, 2019, Neuroscience Letters.

Mechanism of K+ /Na+ selectivity in potassium channels from the perspective of the non-selective bacterial channel NaK

S. Durdağı, S. Noskov, 2011, Channels.

Na+, K+ and Tl+ hydration from QM/MM computations and MD simulations with a polarizable force field

D. Salahub, S. Noskov, B. Lev, 2010, Interdisciplinary Sciences: Computational Life Sciences.

Hydration number, topological control, and ion selectivity.

Benoît Roux, Sergei Yu Noskov, Haibo Yu, 2009, The journal of physical chemistry. B.

Control of ion selectivity in LeuT: two Na+ binding sites with two different mechanisms.

Benoît Roux, Sergei Y Noskov, B. Roux, 2008, Journal of molecular biology.

4-(4-(Dimethylamino)phenyl)-1-methylpyridinium (APP+) Is a Fluorescent Substrate for the Human Serotonin Transporter*

S. Noskov, I. Tomlinson, S. Rosenthal, 2012, The Journal of Biological Chemistry.

The role of local hydration and hydrogen-bonding dynamics in ion and solute release from ion-coupled secondary transporters.

Sergei Yu Noskov, Chunfeng Zhao, S. Noskov, 2011, Biochemistry.

Transporters in Channels

S. Noskov, P. Schnetkamp, L. D. De Felice, 2008, Channels.

Molecular mechanism of substrate specificity in the bacterial neutral amino acid transporter LeuT

Sergei Y Noskov, S. Noskov, 2008, Proteins.

Selective ion binding and transport by membrane proteins – A computational perspective

D. Salahub, S. Noskov, Van A. Ngo, 2017 .

Structure of voltage-dependent anion channel-tethered bilayer lipid membranes determined using neutron reflectivity.

S. Buchanan, S. Noskov, A. Kuszak, 2018, Acta crystallographica. Section D, Structural biology.

A Computational Pipeline to Predict Cardiotoxicity

Kevin R. DeMarco, V. Yarov-Yarovoy, I. Vorobyov, 2020, Circulation research.

Reply from Pei‐Chi Yang, Jonathan D. Moreno, Mao‐Tsuen Jeng, Xander H. T. Wehrens, Sergei Noskov and Colleen E. Clancy

X. Wehrens, S. Noskov, C. Clancy, 2016, The Journal of physiology.

Nonequilibrium path-ensemble averages for symmetric protocols.

David D. L. Minh, T. Nguyen, S. Noskov, 2019, The Journal of chemical physics.

Allosteric Coupling Between Drug Binding and the Aromatic Cassette in the Pore Domain of the hERG1 Channel: Implications for a State-Dependent Blockade

H. Duff, S. Noskov, H. M. Khan, 2020, Frontiers in Pharmacology.

Determinants of Isoform-Specific Gating Kinetics of hERG1 Channel: Combined Experimental and Simulation Study

H. Duff, S. Noskov, C. Clancy, 2018, Front. Physiol..

Benchmarking polarizable and non-polarizable force fields for Ca2+-peptides against a comprehensive QM dataset.

C. Lim, D. Salahub, C. Baldauf, 2020, The Journal of chemical physics.

Molecular dynamic study of the anomalous behavior of heat capacity in a methanol-water mixture

M. Kiselev, S. Noskov, A. Kolker, 1999 .

What controls open-pore and residual currents in the first sensing zone of alpha-hemolysin nanopore? Combined experimental and theoretical study.

Prithwish Pal, S. Noskov, E. N. Ervin, 2016, Nanoscale.

Hydrophobic plug functions as a gate in voltage-gated proton channels

S. Noskov, H. Larsson, Adam C. Chamberlin, 2013, Proceedings of the National Academy of Sciences.

ATP transport through VDAC and the VDAC-tubulin complex probed by equilibrium and nonequilibrium MD simulations.

S. Bezrukov, S. Noskov, T. Rostovtseva, 2013, Biochemistry.

BROMOC-D: Brownian Dynamics/Monte-Carlo Program Suite to Study Ion and DNA Permeation in Nanopores

S. Noskov, C. J. Solano, Pablo M. De Biase, 2012, Journal of chemical theory and computation.

Defective cell adhesion function of solute transporter, SLC4A11, in endothelial corneal dystrophies.

J. Mehta, J. Casey, S. Noskov, 2019, Human molecular genetics.

Mapping Ryanodine Binding Sites in the Pore Cavity of Ryanodine Receptors.

Williams E. Miranda, S. Noskov, Van A. Ngo, 2017, Biophysical journal.

In silico investigation of PARP-1 catalytic domains in holo and apo states for the design of high-affinity PARP-1 inhibitors

R. E. Salmas, S. Durdağı, S. Noskov, 2016, Journal of enzyme inhibition and medicinal chemistry.

Relative Free Energies for Hydration of Monovalent Ions from QM and QM/MM Simulations.

B. Roux, S. Noskov, B. Lev, 2013, Journal of chemical theory and computation.

Computational Modeling of Cardiac K + Channels and Channelopathies

S. Noskov, C. Clancy, L. R. Pérez, 2016 .

Ivabradine prolongs phase 3 of cardiac repolarization and blocks the hERG1 (KCNH2) current over a concentration-range overlapping with that required to block HCN4.

H. Duff, S. Noskov, J. Lees-Miller, 2015, Journal of molecular and cellular cardiology.

Quantum Effects in Cation Interactions with First and Second Coordination Shell Ligands in Metalloproteins

Q. Cui, B. Roux, D. Salahub, 2015, Journal of chemical theory and computation.

Characterizing the Water Wire in the Gramicidin Channel Found by Monte Carlo Sampling Using Continuum Electrostatics and in Molecular Dynamics Trajectories with Conventional or Polarizable Force Fields

T. Lazaridis, M. Gunner, J. Mao, 2020, Journal of Computational Biophysics and Chemistry.

The study of hydrophobic hydration in supercritical water-methanol mixtures.

T. Kerdcharoen, S. Noskov, S. Hannongbua, 2001, Journal of molecular graphics & modelling.

Polarizable model of chloroform based on classical Drude oscillators

J. Faraldo-Gómez, S. Noskov, G. Lamoureux, 2009 .

Toward Reducing hERG Affinities for DAT Inhibitors with a Combined Machine Learning and Molecular Modeling Approach

Williams E. Miranda, Lei Shi, H. Duff, 2019, J. Chem. Inf. Model..

Perspectives on : Ion selectivity Ion selectivity in channels and transporters

B. Roux, S. Bernèche, Haibo Yu, 2011 .

Two-Dimensional Potentials of Mean Force of Nile Red in Intact and Damaged Model Bilayers. Application to Calculations of Fluorescence Spectra.

D. Tieleman, Gurpreet Singh, S. Noskov, 2016, Journal of chemical theory and computation.

A second S4 movement opens hyperpolarization-activated HCN channels

S. Noskov, H. Larsson, Xiaoan Wu, 2021, Proceedings of the National Academy of Sciences.

In response to Melgari et al. "hERG potassium channel inhibition by ivabradine requires channel gating".

H. Duff, S. Noskov, J. Lees-Miller, 2015, Journal of molecular and cellular cardiology.

Pendular proteins in gases and new avenues for characterization of macromolecules by ion mobility spectrometry

Richard D. Smith, A. Shvartsburg, S. Noskov, 2009, Proceedings of the National Academy of Sciences.

Bases of Bacterial Sodium Channel Selectivity Among Organic Cations

S. Noskov, R. French, Rocio K. Finol-Urdaneta, 2019, Scientific Reports.

Polarization Effects in Water-Mediated Selective Cation Transport across a Narrow Transmembrane Channel.

Alexander D. MacKerell, B. Roux, Hui Li, 2021, Journal of chemical theory and computation.

Cholesterol sensitivity of KIR2.1 depends on functional inter-links between the N and C termini

D. Logothetis, S. Noskov, I. Levitan, 2013, Channels.

The RCK2 Domain Uses a Coordination Site Present in Kir Channels to Confer Sodium Sensitivity to Slo2.2 Channels

Zhe Zhang, D. Logothetis, S. Noskov, 2010, The Journal of Neuroscience.

Structural features and lipid binding domain of tubulin on biomimetic mitochondrial membranes

S. Bezrukov, S. Noskov, J. Abramson, 2017, Proceedings of the National Academy of Sciences.

Structure of methanol-methanol associates in dilute methanol-water mixtures from molecular dynamics simulation

B. Rode, M. Kiselev, S. Noskov, 2001 .

The voltage-sensing domain of a hERG1 mutant is a cation-selective channel.

Williams E. Miranda, D. Tieleman, H. Duff, 2022, Biophysical journal.

The Single Residue K12 Governs the Exceptional Voltage Sensitivity of Mitochondrial Voltage-Dependent Anion Channel Gating.

S. Bezrukov, M. Queralt-Martín, S. Noskov, 2022, Journal of the American Chemical Society.

Chapter 10 - A Guide to QM/MM Methodology and Applications

Javier Eduardo Cuervo, Dennis R. Salahub, Bogdan Lev, 2010 .

LiCl solvation in N-methyl-acetamide (NMA) as a model for understanding Li(+) binding to an amide plane.

D. Salahub, A. Dyshin, O. Eliseeva, 2016, Physical chemistry chemical physics : PCCP.

Perspectives on: Ion selectivity: Ion selectivity in channels and transporters

Benoît Roux, Bogdan Lev, Christopher N. Rowley, 2011 .

Model of ionic currents through microtubule nanopores and the lumen.

J. Tuszynski, S. Noskov, E. Carpenter, 2009, Physical review. E, Statistical, nonlinear, and soft matter physics.

Rehabilitating drug-induced long-QT promoters: In-silico design of hERG-neutral cisapride analogues with retained pharmacological activity

H. Duff, S. Durdağı, S. Noskov, 2014, BMC Pharmacology and Toxicology.

SLC4A11 Function: Evidence for H+(OH-) and NH3-H+ Transport.

S. Noskov, X. Shao, D. Newman, 2019, American journal of physiology. Cell physiology.

CryoEM structures of anion exchanger 1 capture multiple states of inward- and outward-facing conformations

D. Tieleman, S. Noskov, Jiansen Jiang, 2022, Communications biology.

SecA alone can Promote Protein Translocation and Ion-Channel Activity: SecYEG Increases Efficiency and Specificity

R. Farid, S. Noskov, G. Erdemli, 2012 .

Molecular dynamics study of hydration in ethanol-water mixtures using a polarizable force field.

Benoît Roux, Guillaume Lamoureux, Sergei Yu Noskov, 2005, The journal of physical chemistry. B.

Inter-species variation in monovalent anion substrate selectivity and inhibitor sensitivity in the sodium iodide symporter (NIS)

S. Noskov, S. Russell, Hristina R. Zhekova, 2020, PloS one.

Characterization of the Cation Binding Sites in the NCKX2 Na+/Ca2+-K+ Exchanger.

S. Noskov, P. Schnetkamp, Chunfeng Zhao, 2016, Biochemistry.

Lipid regulation of hERG1 channel function

D. Tieleman, H. Duff, V. Corradi, 2021, Nature Communications.

The structural pathway for water permeation through sodium-glucose cotransporters.

S. Noskov, J. Cuervo, J. Lapointe, 2011, Biophysical journal.

Molecular determinants of pro-arrhythmia proclivity of d- and l-sotalol via a multi-scale modeling pipeline

Kevin R. DeMarco, Jon T. Sack, J. Fettinger, 2021, Journal of molecular and cellular cardiology.

Identification of PUFA interaction sites on the cardiac potassium channel KCNQ1

Williams E. Miranda, D. Tieleman, V. Corradi, 2021, The Journal of general physiology.

Identification of multiple substrate binding sites in SLC4 transporters in the outward-facing conformation: Insights into the transport mechanism

S. Noskov, I. Kurtz, L. Kao, 2021, The Journal of biological chemistry.

Magic Angle Spinning Nuclear Magnetic Resonance Characterization of Voltage-Dependent Anion Channel Gating in Two-Dimensional Lipid Crystalline Bilayers

R. Griffin, G. Wagner, S. Noskov, 2014, Biochemistry.

The origin and radiation of the phosphoprotein phosphatase (PPP) enzymes of Eukaryotes

G. Moorhead, K. Ng, S. Noskov, 2021, Scientific Reports.

Origin of the Phosphoprotein Phosphatase (PPP) sequence family in Bacteria: Critical ancestral sequence changes, radiation patterns and substrate binding features.

G. Moorhead, K. Ng, S. Noskov, 2021, BBA advances.

Elucidating factors important for monovalent cation selectivity in enzymes: E. coli β-galactosidase as a model.

R. E. Huber, D. Juers, S. Noskov, 2015, Physical chemistry chemical physics : PCCP.

Cholesterol up-regulates neuronal G protein-gated inwardly rectifying potassium (GIRK) channel activity in the hippocampus

Serdar Durdagi, Sergei Noskov, S. Durdağı, 2017, The Journal of Biological Chemistry.

Cryo-EM structure of the sodium-driven chloride/bicarbonate exchanger NDCBE

Z. Zhou, S. Noskov, I. Kurtz, 2021, Nature Communications.

BROMOCEA Code: An Improved Grand Canonical Monte Carlo/Brownian Dynamics Algorithm Including Explicit Atoms.

S. Noskov, K. Pothula, C. J. Solano, 2016, Journal of chemical theory and computation.

Microsecond simulations of DNA and ion transport in nanopores with novel ion–ion and ion–nucleotides effective potentials

Sergei Yu Noskov, Pablo M. De Biase, Suren Markosyan, 2014, J. Comput. Chem..

in coronary macro-, not microcirculation Hypercholesterolemia inhibits L-type calcium current

K. K. Maddali, C. Heaps, D. Logothetis, 2015 .

The Pore-Lipid Interface: Role of Amino-Acid Determinants of Lipophilic Access by Ivabradine to the hERG1 Pore Domain

Henry J. Duff, Sergei Yu Noskov, Meruyert Kudaibergenova, 2019, Molecular Pharmacology.

Interactions of H562 in the S5 helix with T618 and S621 in the pore helix are important determinants of hERG1 potassium channel structure and function.

V. Yarov-Yarovoy, H. Duff, S. Noskov, 2009, Biophysical journal.

Effect of confinement on DNA, solvent and counterion dynamics in a model biological nanopore.

D. Tieleman, Gurpreet Singh, S. Noskov, 2014, Nanoscale.

Free energy decomposition of protein-protein interactions.

S. Noskov, S Y Noskov, C Lim, 2001, Biophysical journal.

Molecular Simulations of Solved Co-crystallized X-Ray Structures Identify Action Mechanisms of PDEδ Inhibitors.

R. E. Salmas, S. Durdağı, S. Noskov, 2015, Biophysical journal.

Endocannabinoids enhance hKV7.1/KCNE1 channel function and shorten the cardiac action potential and QT interval

D. Tieleman, V. Corradi, S. Noskov, 2023, EBioMedicine.

VDAC gating thermodynamics, but not gating kinetics, are virtually temperature-independent.

A. Berezhkovskii, S. Bezrukov, M. Queralt-Martín, 2020, Biophysical journal.

Computational membrane biophysics: From ion channel interactions with drugs to cellular function.

Williams E. Miranda, S. Noskov, Van A. Ngo, 2017, Biochimica et biophysica acta. Proteins and proteomics.

Refinement of a Cryo-EM Structure of hERG: Bridging Structure and Function

D. Tieleman, H. Duff, S. Noskov, 2020, bioRxiv.

Potassium channels in the heart : structure , function and regulation

Ye Chen-Izu, Donald M Bers, Jamie I Vandenberg, 2016 .

Ion selectivity in potassium channels.

Benoît Roux, Sergei Yu Noskov, B. Roux, 2006, Biophysical chemistry.

Evidence for a third sodium-binding site in glutamate transporters suggests an ion/substrate coupling model

Nicholas P. Vyleta, I. Baconguis, S. Noskov, 2010, Proceedings of the National Academy of Sciences.

A human ether-á-go-go-related (hERG) ion channel atomistic model generated by long supercomputer molecular dynamics simulations and its use in predicting drug cardiotoxicity.

Michael Houghton, Jack A Tuszynski, Sergei Y Noskov, 2014, Toxicology letters.

NS1643 interacts around L529 of hERG to alter voltage sensor movement on the path to activation.

H. Duff, S. Durdağı, S. Noskov, 2015, Biophysical journal.

Role of the pH in state-dependent blockade of hERG currents

Serdar Durdagi, Henry J. Duff, Guoqi Teng, 2016, Scientific Reports.

In silico prediction of drug therapy in catecholaminergic polymorphic ventricular tachycardia

Colleen E. Clancy, Eleonora Grandi, X. Wehrens, 2015, The Journal of physiology.

Molecular mechanism of Zn2+ inhibition of a voltage-gated proton channel

S. Noskov, H. Larsson, Adam C. Chamberlin, 2016, Proceedings of the National Academy of Sciences.

A molecular switch controls the impact of cholesterol on a Kir channel

Williams E. Miranda, D. Tieleman, V. Corradi, 2022, Proceedings of the National Academy of Sciences of the United States of America.

Atomistic models of ion and solute transport by the sodium-dependent secondary active transporters.

S. Noskov, B. Lev, Chunfeng Zhao, 2012, Biochimica et biophysica acta.

Combined Receptor and Ligand-Based Approach to the Universal Pharmacophore Model Development for Studies of Drug Blockade to the hERG1 Pore Domain

Serdar Durdagi, Henry J. Duff, Sergei Yu Noskov, 2011, J. Chem. Inf. Model..

A general mechanism of KCNE1 modulation of KCNQ1 channels involving non-canonical VSD-PD coupling

S. Noskov, H. Larsson, Xiaoan Wu, 2021, Communications Biology.

Identification of Novel Cholesterol-binding Regions in Kir2 Channels*

S. Durdağı, D. Logothetis, S. Noskov, 2013, The Journal of Biological Chemistry.

Mapping of Ion and Substrate Binding Sites in Human Sodium Iodide Symporter (hNIS)

Ryan Johnson, Stephen Russell, Hristina Rumenova Zhekova, 2020, J. Chem. Inf. Model..

Mapping the gating and permeation pathways in the voltage-gated proton channel Hv1.

S. Noskov, H. Larsson, Adam C. Chamberlin, 2015, Journal of molecular biology.

Molecular Mechanism of Conductance Enhancement in Narrow Cation-Selective Membrane Channels.

Williams E. Miranda, S. Noskov, Van A. Ngo, 2018, The journal of physical chemistry letters.

Modeling of Open, Closed, and Open-Inactivated States of the hERG1 Channel: Structural Mechanisms of the State-Dependent Drug Binding

Serdar Durdagi, Sumukh Deshpande, Henry J. Duff, 2012, J. Chem. Inf. Model..

A three-dimensional model of a group II intron RNA and its interaction with the intron-encoded reverse transcriptase.

Steven Zimmerly, A. Lambowitz, S. Noskov, 2008, Molecular cell.

Improving the LIE Method for Binding Free Energy Calculations of Protein-Ligand Complexes

Williams E. Miranda, Sergei Yu. Noskov, Pedro A. Valiente, 2015, J. Chem. Inf. Model..

A computational pipeline to predict cardiotoxicity: From the atom to the rhythm

Kevin R. DeMarco, Colleen E. Clancy, Vladimir Yarov-Yarovoy, 2019, bioRxiv.

Performance of Machine Learning Algorithms for Qualitative and Quantitative Prediction Drug Blockade of hERG1 channel.

Sergei Yu Noskov, Soren Wacker, S. Noskov, 2017, Computational toxicology.

Assessing hERG1 Blockade from Bayesian Machine-Learning-Optimized Site Identification by Ligand Competitive Saturation Simulations

Alexander D. MacKerell, Alexander D MacKerell, Mahdi Mousaei, 2020, J. Chem. Inf. Model..

Kinetic model for NS1643 drug activation of WT and L529I variants of Kv11.1 (hERG1) potassium channel.

Colleen E Clancy, Sergei Y Noskov, Henry J Duff, 2015, Biophysical journal.

Structural refinement of the hERG1 pore and voltage‐sensing domains with ROSETTA‐membrane and molecular dynamics simulations

V. Yarov-Yarovoy, H. Duff, S. Durdağı, 2010, Proteins.

Kinetic Model for NS 1643 Drug Activation of WT and L 529 I Variants of Kv 11 . 1 ( hERG 1 ) Potassium Channel

Pablo M. De Biase, H. Duff, S. Noskov, 2015 .

BROMOC suite: Monte Carlo/Brownian dynamics suite for studies of ion permeation and DNA transport in biological and artificial pores with effective potentials

Pablo M. De Biase, Suren Markosyan, Sergei Noskov, 2015, J. Comput. Chem..

Molecular strategies to achieve selective conductance in NaK channel variants.

S. Noskov, Adam C. Chamberlin, Yibo Wang, 2014, The journal of physical chemistry. B.

The QM‐MM interface for CHARMM‐deMon

Rui Zhang, Aurélien de la Lande, Dennis R. Salahub, 2010, J. Comput. Chem..

Atomistic models for free energy evaluation of drug binding to membrane proteins.

S. Durdağı, S. Noskov, J. Cuervo, 2011, Current medicinal chemistry.

Sodium channel selectivity and conduction: Prokaryotes have devised their own molecular strategy

Chunfeng Zhao, S. Noskov, R. French, 2014, The Journal of general physiology.

Atomistic modeling towards predictive cardiotoxicity

Kevin R. DeMarco, John R.D. Dawson, Slava Bekker, 2019, bioRxiv.

The Molecular Mechanism of Ion-Dependent Gating in Secondary Transporters

Sergei Yu Noskov, Chunfeng Zhao, S. Noskov, 2013, PLoS Comput. Biol..

Improved QM/MM Linear-Interaction Energy Model for Substrate Recognition in Zinc-Containing Metalloenzymes.

Sergei Yu Noskov, Pedro A Valiente, Williams E. Miranda, 2016, The journal of physical chemistry. B.

Two mechanisms of ion selectivity in protein binding sites

Benoît Roux, Haibo Yu, B. Roux, 2010, Proceedings of the National Academy of Sciences.

Acidification Asymmetrically Affects Voltage-dependent Anion Channel Implicating the Involvement of Salt Bridges*

S. Bezrukov, S. Noskov, T. Rostovtseva, 2014, The Journal of Biological Chemistry.

Role of bound water in protein-ligand association processes

M. Kiselev, S. Noskov, A. Kolker, 2010 .

Electron diffraction and quantum chemical study of the molecular structure of 4-methylbenzene sulfochloride

S. Noskov, V. Kislov, A. Krasnov, 1999 .

Role of protein matrix rigidity and local polarization effects in the monovalent cation selectivity of crystallographic sites in the Na-coupled aspartate transporter Glt(Ph).

S. Noskov, B. Lev, 2013, Physical chemistry chemical physics : PCCP.

Distant Cytosolic Residues Mediate a Two-way Molecular Switch That Controls the Modulation of Inwardly Rectifying Potassium (Kir) Channels by Cholesterol and Phosphatidylinositol 4,5-Bisphosphate (PI(4,5)P2)*

D. Logothetis, S. Noskov, I. Levitan, 2012, The Journal of Biological Chemistry.

The Role of Atomic Polarization in the Thermodynamics of Chloroform Partitioning to Lipid Bilayers.

W F Drew Bennett, Toby W Allen, Igor Vorobyov, 2012, Journal of chemical theory and computation.

Digging into Lipid Membrane Permeation for Cardiac Ion Channel Blocker d-Sotalol with All-Atom Simulations

Kevin R. DeMarco, Slava Bekker, Colleen E. Clancy, 2018, Front. Pharmacol..

Electron Diffraction and Quantum Chemical Study of the Molecular Structure of para-Methylbenzenesulfonyl Fluoride and para-Methylbenzenesulfonyl Bromide

S. Noskov, V. Kislov, A. Krasnov, 2000 .

Mechanism of the Association between Na+ Binding and Conformations at the Intracellular Gate in Neurotransmitter:Sodium Symporters*

George Khelashvili, Jonathan A. Javitch, Harel Weinstein, 2015, The Journal of Biological Chemistry.

Ion-controlled conformational dynamics in the outward-open transition from an occluded state of LeuT.

Harel Weinstein, Lei Shi, Sebastian Stolzenberg, 2012, Biophysical journal.

Correction

S. Noskov, Qiong-Yao Tang, Zhe Zhang, 1995, Neurology.

Designing of multi-targeted molecules using combination of molecular screening and in silico drug cardiotoxicity prediction approaches.

Serdar Durdagi, Sergei Y Noskov, S. Durdağı, 2014, Journal of molecular graphics & modelling.

A Conserved Asparagine Residue in Transmembrane Segment 1 (TM1) of Serotonin Transporter Dictates Chloride-coupled Neurotransmitter Transport*

R. Blakely, J. Meiler, L. DeFelice, 2011, The Journal of Biological Chemistry.

Structure Driven Design of Novel Human Ether-A-Go-Go-Related-Gene Channel (hERG1) Activators

H. Duff, S. Durdağı, S. Noskov, 2014, PloS one.

Toward Reducing hERG Affinities for DAT Inhibitors with a Combined Machine Learning and Molecular Modeling Approach

Henry J. Duff, Sergei Yu Noskov, Lei Shi, 2021, J. Chem. Inf. Model..

Oscar Teijido , Shay M . Rappaport , Adam Implicating the Involvement of Salt Bridges Voltage-dependent

S. Bezrukov, S. Noskov, T. Rostovtseva, 2014 .

Structure of voltage-dependent anion channel-tethered bilayer lipid membranes determined using neutron reflectivity.

S. Buchanan, S. Noskov, A. Kuszak, 2018, Acta crystallographica. Section D, Structural biology.

Evaluations of the Absolute and Relative Free Energies for Antidepressant Binding to the Amino Acid Membrane Transporter LeuT with Free Energy Simulations.

Sergei Yu Noskov, Chunfeng Zhao, S. Noskov, 2010, Journal of chemical theory and computation.

Structure-Guided Topographic Mapping and Mutagenesis to Elucidate Binding Sites for the Human Ether-a-Go-Go-Related Gene 1 Potassium Channel (KCNH2) Activator NS1643

H. Duff, S. Durdağı, S. Noskov, 2012, Journal of Pharmacology and Experimental Therapeutics.

First universal pharmacophore model for hERG1 K+ channel activators: acthER.

R. E. Salmas, S. Durdağı, S. Noskov, 2017, Journal of molecular graphics & modelling.

Estimation of Potentials of Mean Force from Nonequilibrium Pulling Simulations Using Both Minh-Adib Estimator and Weighted Histogram Analysis Method.

Toby W Allen, Van A Ngo, Ilsoo Kim, 2016, Journal of chemical theory and computation.